5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile

C11H13N5O — CID 104704137

IUPAC5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
SMILESCN(C)Cc1noc(-c2cc(C#N)cn2C)n1
InChIInChI=1S/C11H13N5O/c1-15(2)7-10-13-11(17-14-10)9-4-8(5-12)6-16(9)3/h4,6H,7H2,1-3H3
InChIKeyNWYADNPRIURMKV-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.01
Rot. Bonds3

About 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile

5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile (PubChem CID 104704137) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
PubChem CID104704137
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
SMILESCN(C)Cc1noc(-c2cc(C#N)cn2C)n1
InChIInChI=1S/C11H13N5O/c1-15(2)7-10-13-11(17-14-10)9-4-8(5-12)6-16(9)3/h4,6H,7H2,1-3H3
InChIKeyNWYADNPRIURMKV-UHFFFAOYSA-N
XLogP1.01
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 106526842
1-methyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 113437982
1-methyl-5-[3-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 97222256
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrole-3-carbonitrile
CID 103739765
ethyl 5-(4-cyano-1-methylpyrrol-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 106526585
5-(4-cyano-1-methylpyrrol-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527900
1-methyl-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 106527540
1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
CID 103739760
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 136889617
5-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677156
5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677263
5-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677103

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile (CID 104704137) is 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile is CN(C)Cc1noc(-c2cc(C#N)cn2C)n1.
What is the InChIKey of 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The InChIKey is NWYADNPRIURMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-15(2)7-10-13-11(17-14-10)9-4-8(5-12)6-16(9)3/h4,6H,7H2,1-3H3.
What are the key properties of 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 104704137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).